3-(6-phenanthren-9-ylnaphthalen-2-yl)fluoranthene

C40H24 — CID 123939461

IUPAC3-(6-phenanthren-9-ylnaphthalen-2-yl)fluoranthene
SMILESc1ccc2c(c1)-c1cccc3c(-c4ccc5cc(-c6cc7ccccc7c7ccccc67)ccc5c4)ccc-2c13
InChIInChI=1S/C40H24/c1-2-9-30-27(8-1)24-39(35-13-6-3-10-32(30)35)29-19-17-25-22-28(18-16-26(25)23-29)31-20-21-38-34-12-5-4-11-33(34)37-15-7-14-36(31)40(37)38/h1-24H
InChIKeyGEEVIHMNXAMJRF-UHFFFAOYSA-N
MW504.63 g/mol
LogP11.28
Rot. Bonds2

About 3-(6-phenanthren-9-ylnaphthalen-2-yl)fluoranthene

3-(6-phenanthren-9-ylnaphthalen-2-yl)fluoranthene (PubChem CID 123939461) has the molecular formula C40H24 and a molecular weight of 504.63 g/mol. Its IUPAC name is 3-(6-phenanthren-9-ylnaphthalen-2-yl)fluoranthene.

Molecular Properties

Compound Name3-(6-phenanthren-9-ylnaphthalen-2-yl)fluoranthene
PubChem CID123939461
Molecular FormulaC40H24
Molecular Weight504.63 g/mol
Exact Mass504.19
IUPAC Name3-(6-phenanthren-9-ylnaphthalen-2-yl)fluoranthene
SMILESc1ccc2c(c1)-c1cccc3c(-c4ccc5cc(-c6cc7ccccc7c7ccccc67)ccc5c4)ccc-2c13
InChIInChI=1S/C40H24/c1-2-9-30-27(8-1)24-39(35-13-6-3-10-32(30)35)29-19-17-25-22-28(18-16-26(25)23-29)31-20-21-38-34-12-5-4-11-33(34)37-15-7-14-36(31)40(37)38/h1-24H
InChIKeyGEEVIHMNXAMJRF-UHFFFAOYSA-N
XLogP11.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.63
LogP ≤ 511.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

3-(6-naphthalen-2-ylnaphthalen-2-yl)benzo[k]fluoranthene
CID 166019533
3-(7-benzo[k]fluoranthen-3-ylnaphthalen-2-yl)benzo[k]fluoranthene
CID 59805129
5-[6-(3-fluoranthen-3-ylnaphthalen-1-yl)naphthalen-2-yl]benzo[c]phenanthrene
CID 59524163
3-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]fluoranthene
CID 58544598
3-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]fluoranthene
CID 59524105
N,N-dinaphthalen-2-yl-6-phenanthren-9-ylnaphthalen-2-amine;N,N-dinaphthalen-2-yl-7-phenanthren-9-ylnaphthalen-2-amine;3-fluoranthen-3-yl-N,N-diphenylaniline
CID 160707555
3-(6-phenylnaphthalen-2-yl)fluoranthene
CID 123421019
6-[4-(7-fluoranthen-3-ylnaphthalen-2-yl)phenyl]benzo[c]phenanthrene
CID 58544674
4,5-dinaphthalen-1-yl-1-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalene
CID 159717839
19-naphthalen-2-ylhexacyclo[14.7.1.02,15.03,8.09,14.020,24]tetracosa-1(23),2(15),3,5,7,9,11,13,16(24),17,19,21-dodecaene
CID 140710714
3-[5-(9,9-dimethyl-7-phenanthren-9-ylfluoren-2-yl)naphthalen-1-yl]fluoranthene
CID 58569600
3,7,12-trinaphthalen-2-ylbenzo[k]fluoranthene
CID 58988846

Frequently Asked Questions

What is the IUPAC name of 3-(6-phenanthren-9-ylnaphthalen-2-yl)fluoranthene?
The IUPAC name of 3-(6-phenanthren-9-ylnaphthalen-2-yl)fluoranthene (CID 123939461) is 3-(6-phenanthren-9-ylnaphthalen-2-yl)fluoranthene.
What is the SMILES notation for 3-(6-phenanthren-9-ylnaphthalen-2-yl)fluoranthene?
The canonical SMILES for 3-(6-phenanthren-9-ylnaphthalen-2-yl)fluoranthene is c1ccc2c(c1)-c1cccc3c(-c4ccc5cc(-c6cc7ccccc7c7ccccc67)ccc5c4)ccc-2c13.
What is the InChIKey of 3-(6-phenanthren-9-ylnaphthalen-2-yl)fluoranthene?
The InChIKey is GEEVIHMNXAMJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24/c1-2-9-30-27(8-1)24-39(35-13-6-3-10-32(30)35)29-19-17-25-22-28(18-16-26(25)23-29)31-20-21-38-34-12-5-4-11-33(34)37-15-7-14-36(31)40(37)38/h1-24H.
What are the key properties of 3-(6-phenanthren-9-ylnaphthalen-2-yl)fluoranthene?
3-(6-phenanthren-9-ylnaphthalen-2-yl)fluoranthene has a molecular weight of 504.63 g/mol, XLogP of 11.28, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-phenanthren-9-ylnaphthalen-2-yl)fluoranthene is sourced from PubChem (CID 123939461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).